C368-0696 Screening compound: 5-amino-1-{[(2,4-dimethylphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide

C368-0696 Screening compound: 5-amino-1-{[(2,4-dimethylphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
C368-0696 Screening compound: 5-amino-1-{[(2,4-dimethylphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C368-0696
5-amino-1-{[(2,4-dimethylphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C368-0696

Molecular Formula

C18H20N6O2S (C18 H20 N6 O2 S)

Compound Name

5-amino-1-{[(2,4-dimethylphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide

IUPAC name

5-amino-1-{[(24-dimethylphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)methyl]-1H-123-triazole-4-carboxamide

SMILES

Cc(cc1)cc(C)c1NC(Cn1nnc(C(NCc2cccs2)=O)c1N)=O

InChI

InChI=1S/C18H20N6O2S/c1-11-5-6-14(12(2)8-11)21-15(25)10-24-17(19)16(22-23-24)18(26)20-9-13-4-3-7-27-13/h3-8H,9-10,19H2,1-2H3,(H,20,26)(H,21,25)

InChI Key

AVCIJKYSGPUSHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.738

Distribution Coefficient, logD

1.738

Water Solubility, LogSw

-2.59

Polar Surface Area

94.080

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C368-0696 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C368-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C368-0696?
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What is the minimum amount of C368-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C368-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C368-0696
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C368-0696 available by request